N-(4-methylsulfonylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-methylsulfonylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-methylsulfonylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-methylsulfonylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-methylsulfonylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(4-mesylphenyl)acetamide Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H17N3O4S/c1-21(19,20)11-4-2-10(3-5-11)15-13(18)9-16-7-6-14-12(17)8-16/h2-5H,6-9H2,1H3,(H,14,17)(H,15,18)/p+1